(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone

C12H9FN2O — CID 115529848

IUPAC(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2O/c1-8-14-6-5-11(15-8)12(16)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyBCJQEIVQDLHHEU-UHFFFAOYSA-N
MW216.21 g/mol
LogP2.16
Rot. Bonds2

About (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone

(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone (PubChem CID 115529848) has the molecular formula C12H9FN2O and a molecular weight of 216.21 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
PubChem CID115529848
Molecular FormulaC12H9FN2O
Molecular Weight216.21 g/mol
Exact Mass216.07
IUPAC Name(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)c2cccc(F)c2)n1
InChIInChI=1S/C12H9FN2O/c1-8-14-6-5-11(15-8)12(16)9-3-2-4-10(13)7-9/h2-7H,1H3
InChIKeyBCJQEIVQDLHHEU-UHFFFAOYSA-N
XLogP2.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079830
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(3-fluorophenyl)-(6-methoxypyridazin-3-yl)methanone
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(3-fluorophenyl)-(2-methylfuran-3-yl)methanone
CID 104789310
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
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(4-amino-2-methyl-1,3-thiazol-5-yl)-(3-fluorophenyl)methanone
CID 142153954
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(3-methylphenyl)-pyrimidin-4-ylmethanone
CID 63989761
4-(3-fluorobenzoyl)-N-[3-(2-methylpyrimidin-4-yl)phenyl]piperazine-1-carboxamide
CID 91544721
(2,5-difluorophenyl)-(3-fluorophenyl)methanone
CID 43159843

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone (CID 115529848) is (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)c2cccc(F)c2)n1.
What is the InChIKey of (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is BCJQEIVQDLHHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-8-14-6-5-11(15-8)12(16)9-3-2-4-10(13)7-9/h2-7H,1H3.
What are the key properties of (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone?
(3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 216.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 115529848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).